Ligand name: 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one
PDB ligand accession: HC8
DrugBank: n/a
PubChem: 44237107
ChEMBL: n/a
InChI Key: BONGITCDOWZART-UHFFFAOYSA-N
SMILES: CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthols and derivatives

List of PDB structures and/or AlphaFold models with target protein Q12053

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3HRR	Download	Experimental	e3hrrA1 e3hrrA2 e3hrrB1 e3hrrB2	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot